ethyl 3-[2-[(3-cyano-5-oxidanylidene-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(3-cyano-5-oxidanylidene-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(3-cyano-5-oxo-7,8-dihydro-6H-quinolin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(3-cyano-5-keto-7,8-dihydro-6H-quinolin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=C2C#N)C(=O)CCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=C2C#N)C(=O)CCC3

InChI

InChI=1S/C21H19N3O4S/c1-2-28-21(27)13-5-3-6-15(9-13)23-19(26)12-29-20-14(11-22)10-16-17(24-20)7-4-8-18(16)25/h3,5-6,9-10H,2,4,7-8,12H2,1H3,(H,23,26)